Home Carboxys tert-butyl 2-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate

tert-butyl 2-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate

CAS No.:
2137543-26-9
Catalog Number:
AG01EJZ3
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
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Product Description
Catalog Number:
AG01EJZ3
Chemical Name:
tert-butyl 2-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate
CAS Number:
2137543-26-9
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
MDL Number:
MFCD31456801
IUPAC Name:
tert-butyl 2-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate
InChI:
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-7-8-6-9(13)4-5-10(8)14/h8-9H,4-7H2,1-3H3
InChI Key:
IMLMCTVICONPMN-UHFFFAOYSA-N
SMILES:
O=C1CCC2CC1CN2C(=O)OC(C)(C)C
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties